6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

C33H41ClN6O3 — CID 146592452

IUPAC6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H](C)O)CC3)nc(Cl)c21
InChIInChI=1S/C33H41ClN6O3/c1-20(2)39-19-35-27-18-26(36-30(34)29(27)39)22-7-8-25-28(15-22)40(24-16-23(17-24)37-11-5-4-6-12-37)32(43)33(25)9-13-38(14-10-33)31(42)21(3)41/h7-8,15,18-21,23-24,41H,4-6,9-14,16-17H2,1-3H3/t21-,23?,24?/m1/s1
InChIKeyKPPXOLRJVCYYFG-DNFKCEGXSA-N
MW605.18 g/mol
LogP4.94
Rot. Bonds5

About 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one

6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 146592452) has the molecular formula C33H41ClN6O3 and a molecular weight of 605.18 g/mol. Its IUPAC name is 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID146592452
Molecular FormulaC33H41ClN6O3
Molecular Weight605.18 g/mol
Exact Mass604.29
IUPAC Name6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H](C)O)CC3)nc(Cl)c21
InChIInChI=1S/C33H41ClN6O3/c1-20(2)39-19-35-27-18-26(36-30(34)29(27)39)22-7-8-25-28(15-22)40(24-16-23(17-24)37-11-5-4-6-12-37)32(43)33(25)9-13-38(14-10-33)31(42)21(3)41/h7-8,15,18-21,23-24,41H,4-6,9-14,16-17H2,1-3H3/t21-,23?,24?/m1/s1
InChIKeyKPPXOLRJVCYYFG-DNFKCEGXSA-N
XLogP4.94
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.18
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one (CID 146592452) is 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H](C)O)CC3)nc(Cl)c21.
What is the InChIKey of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is KPPXOLRJVCYYFG-DNFKCEGXSA-N. The full InChI is InChI=1S/C33H41ClN6O3/c1-20(2)39-19-35-27-18-26(36-30(34)29(27)39)22-7-8-25-28(15-22)40(24-16-23(17-24)37-11-5-4-6-12-37)32(43)33(25)9-13-38(14-10-33)31(42)21(3)41/h7-8,15,18-21,23-24,41H,4-6,9-14,16-17H2,1-3H3/t21-,23?,24?/m1/s1.
What are the key properties of 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one?
6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 605.18 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-1'-[(2R)-2-hydroxypropanoyl]-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 146592452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).